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小分子和化合物库
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L-犬尿氨酸水合物CAS号: 2922-83-0分子式: C10H12N2O3·xH2O 分子量: 208.22(as Anhydrous)IUPAC Name: (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acidSMILES: C1=CC=C(C(=C1)C(=O)CC(C(=O)O)N)NInChIKey: YGPSJZOEDVAXAB-QMMMGPOBSA-NInChI: 1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m0/s1
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氯胺T 三水合物分子式: C7H7CINNaO2S·3H2O 分子量: 281.69IUPAC Name: sodium;chloro-(4-methylphenyl)sulfonylazanide;trihydrateSMILES: CC1=CC=C(C=C1)S(=O)(=O)[N-]Cl.O.O.O.[Na+]InChIKey: NZYOAGBNMCVQIV-UHFFFAOYSA-NInChI: 1S/C7H7ClNO2S.Na.3H2O/c1-6-2-4-7(5-3-6)12(10,11)9-8;;;;/h2-5H,1H3;;3*1H2/q-1;+1;;;
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乙胺嗪柠檬酸盐CAS号: 1642-54-2分子式: C10H21N3O·C6H8O7 分子量: 391.42IUPAC Name: N,N-diethyl-4-methylpiperazine-1-carboxamide;2-hydroxypropane-1,2,3-tricarboxylic acidSMILES: CCN(CC)C(=O)N1CCN(CC1)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)OInChIKey: PGNKBEARDDELNB-UHFFFAOYSA-NInChI: 1S/C10H21N3O.C6H8O7/c1-4-12(5-2)10(14)13-8-6-11(3)7-9-13;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-9H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
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2'-氟-2'-脱氧胞苷CAS号: 10212-20-1分子式: C9H12FN3O4 分子量: 245.21IUPAC Name: 4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-oneSMILES: C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)FInChIKey: NVZFZMCNALTPBY-XVFCMESISA-NInChI: 1S/C9H12FN3O4/c10-6-7(15)4(3-14)17-8(6)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6-,7-,8-/m1/s1
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S-烯丙基-L-半胱氨酸CAS号: 21593-77-1分子式: C6H11NO2S 分子量: 161.22IUPAC Name: (2R)-2-amino-3-prop-2-enylsulfanylpropanoic acidSMILES: C=CCSCC(C(=O)O)NInChIKey: ZFAHNWWNDFHPOH-YFKPBYRVSA-NInChI: 1S/C6H11NO2S/c1-2-3-10-4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-/m0/s1
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5-溴-4'-氯水杨酰苯胺CAS号: 3679-64-9分子式: C13H9BrClNO2 分子量: 326.57IUPAC Name: 5-bromo-N-(4-chlorophenyl)-2-hydroxybenzamideSMILES: C1=CC(=CC=C1NC(=O)C2=C(C=CC(=C2)Br)O)ClInChIKey: QBSGXIBYUQJHMJ-UHFFFAOYSA-NInChI: 1S/C13H9BrClNO2/c14-8-1-6-12(17)11(7-8)13(18)16-10-4-2-9(15)3-5-10/h1-7,17H,(H,16,18)
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1-(2-溴异戊酰)脲CAS号: 496-67-3分子式: C6H11BrN2O2 分子量: 223.07IUPAC Name: 2-bromo-N-carbamoyl-3-methylbutanamideSMILES: CC(C)C(C(=O)NC(=O)N)BrInChIKey: CMCCHHWTTBEZNM-UHFFFAOYSA-NInChI: 1S/C6H11BrN2O2/c1-3(2)4(7)5(10)9-6(8)11/h3-4H,1-2H3,(H3,8,9,10,11)
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(2-羧乙基)二甲基氯化锍CAS号: 4337-33-1分子式: C5H11ClO2S 分子量: 170.65IUPAC Name: 2-carboxyethyl(dimethyl)sulfanium;chlorideSMILES: C[S+](C)CCC(=O)O.[Cl-]InChIKey: RRUMKKGRKSSZKY-UHFFFAOYSA-NInChI: 1S/C5H10O2S.ClH/c1-8(2)4-3-5(6)7;/h3-4H2,1-2H3;1H
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丙酮二酸钙三水合物CAS号: 21085-60-9分子式: C3H2CaO6·3H2O 分子量: 174.12IUPAC Name: calcium;2-oxopropanedioateSMILES: C(=O)(C(=O)[O-])C(=O)[O-].[Ca+2]InChIKey: YYJSBERANQTJJH-UHFFFAOYSA-LInChI: 1S/C3H2O5.Ca/c4-1(2(5)6)3(7)8;/h(H,5,6)(H,7,8);/q;+2/p-2
